Chemical ID: 7440239

c1ccc2c(c1)Nc3cc(nnc3N2)O
Chemical ID:
7440239
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)Nc3cc(nnc3N2)O
InChi [?]:
InChI=1/C10H8N4O/c15-9-5-8-10(14-13-9)12-7-4-2-1-3-6(7)11-8/h1-5,11H,(H,12,14)(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,9,5,4,8,10,13,7,14,11,12,15/rA:15nCCCCCCNCCCNNCNO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;d8s12;s4s13;s10;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8N4O
All Atoms:23
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.31079
Area:350.196
Solvation:-2.44411
Coulombic:-43.8952
Bond Count [?]
All:17
Single:11
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:200.197
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:2.15
LogP (Chemaxon):0.97

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Descriptor Annotations

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